1H-Pyrazolo[1,5-D]tetrazole-6-carboxylic acid
Basic information
- CAS
197356-15-3- Standard SMILES
O=C(O)c1cc2nn[nH]n2n1- InChIKey
NIJZDSQYUDYMDE-UHFFFAOYSA-N- Molecular formula
- C4H3N5O2
- Average molar mass
- 153.1 g/mol
- Monoisotopic mass
- 153.02867436
Names & identifiers
- Preferred name
- 1H-Pyrazolo[1,5-D]tetrazole-6-carboxylic acid
- IUPAC
- 3H-pyrazolo[5,1-e]tetrazole-6-carboxylic acid
- English name
- 1H-Pyrazolo[1,5-d]tetrazole-6-carboxylicacid(9CI)
- Molecular formula
- C4H3N5O2
- Molecular weight
- 153.1
Names & synonyms
197356-15-31H-PYRAZOLO[1,5-D]TETRAZOLE-6-CARBOXYLIC ACID3H-Pyrazolo[1,5-d]tetrazole-6-carboxylic acid3H-pyrazolo[5,1-e]tetrazole-6-carboxylic acid1H-Pyrazolo[1,5-d]tetrazole-6-carboxylicacid(9CI)SCHEMBL2265711SCHEMBL2265716SCHEMBL2265720DTXSID10591555AT37831
Database identifiers
- CAS
197356-15-3- PubChem CID
- 17907418
- DTXSID
DTXSID10591555
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 185
Physicochemical properties
- Density
- 2.39 · 2.39±0.1 g/cm3(Predicted)
- pka
- -2.35 · -2.35±0.41(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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